N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine

C15H13BrN2S — CID 115148229

IUPACN-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)c2csc3ccccc23)ccc1Br
InChIInChI=1S/C15H13BrN2S/c1-10-12(16)7-8-15(17-10)18(2)13-9-19-14-6-4-3-5-11(13)14/h3-9H,1-2H3
InChIKeyWZJXGAMIQQDUDZ-UHFFFAOYSA-N
MW333.25 g/mol
LogP5.14
Rot. Bonds2

About N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine

N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine (PubChem CID 115148229) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine
PubChem CID115148229
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC NameN-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)c2csc3ccccc23)ccc1Br
InChIInChI=1S/C15H13BrN2S/c1-10-12(16)7-8-15(17-10)18(2)13-9-19-14-6-4-3-5-11(13)14/h3-9H,1-2H3
InChIKeyWZJXGAMIQQDUDZ-UHFFFAOYSA-N
XLogP5.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.25
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-N,2-dimethyl-1H-indol-3-amine
CID 115148200
5-bromo-N,N,6-trimethylpyridin-2-amine
CID 69256889
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
3-methyl-1-benzothiophene;zinc
CID 70563074
5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103915087
5-bromo-N-(4,4-dimethylcyclohexyl)-N,6-dimethylpyridin-2-amine
CID 114047673
N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
CID 103915135

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine?
The IUPAC name of N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine (CID 115148229) is N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine?
The canonical SMILES for N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine is Cc1nc(N(C)c2csc3ccccc23)ccc1Br.
What is the InChIKey of N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine?
The InChIKey is WZJXGAMIQQDUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c1-10-12(16)7-8-15(17-10)18(2)13-9-19-14-6-4-3-5-11(13)14/h3-9H,1-2H3.
What are the key properties of N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine?
N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine has a molecular weight of 333.25 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-5-bromo-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 115148229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).